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晶体点阵参数最小二乘法计算程序
引用本文:陈蓉美.晶体点阵参数最小二乘法计算程序[J].湖南地质,1990,9(1):54-59.
作者姓名:陈蓉美
作者单位:中南工业大学
摘    要:作者以最小二乘法理法导出了晶体点阵参数计算的公式,并顾及了X射线粉晶衍射图测定所引起的系统误差修正,从而得到点阵参数的最佳估值。以导出的公式为数学模型编制了PC-1500微机的扩展BASIC语言程序,可适用于各晶系点阵参数的计算,使用方便。

关 键 词:晶体  点阵参数  程序  最小二乘法

PROGRAM FOR CALCULATING THE CRYSTAL LATTICE PARAMETERS WITH LEAST SQUARE METHOD
Chen Rongmei.PROGRAM FOR CALCULATING THE CRYSTAL LATTICE PARAMETERS WITH LEAST SQUARE METHOD[J].Hunan Geology,1990,9(1):54-59.
Authors:Chen Rongmei
Institution:Central South University of Technology
Abstract:Based on the least square theory, the author deduced new formulae for calculating lattice parameters of all crystal systems, in which the correction of systematic error of X-ray powder diffraction pattern determination was taken into consideration, so the best estimates of the lattice parameters can be obtained. According to the deduced formulae, a PC-1500 computer program has been designed, which can be applied to alculate lattice parameters of each crystal system conveniently.
Keywords:Lattice parameters  Least square method  X-ray powder diffraction pattern  Computer program  Residual deviation
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